tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane

C16H22ClNOSi — CID 144823426

IUPACtert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H22ClNOSi/c1-16(2,3)20(4,5)19-11-13-10-12-8-6-7-9-14(12)18-15(13)17/h6-10H,11H2,1-5H3
InChIKeyFLQYPUMOGLDZJX-UHFFFAOYSA-N
MW307.90 g/mol
LogP5.41
Rot. Bonds3

About tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane

tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane (PubChem CID 144823426) has the molecular formula C16H22ClNOSi and a molecular weight of 307.90 g/mol. Its IUPAC name is tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane
PubChem CID144823426
Molecular FormulaC16H22ClNOSi
Molecular Weight307.90 g/mol
Exact Mass307.12
IUPAC Nametert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H22ClNOSi/c1-16(2,3)20(4,5)19-11-13-10-12-8-6-7-9-14(12)18-15(13)17/h6-10H,11H2,1-5H3
InChIKeyFLQYPUMOGLDZJX-UHFFFAOYSA-N
XLogP5.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.90
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
(2-chloroquinolin-3-yl)methyl methanesulfonate
CID 22388059
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
2-chloro-3-(1-phenylethoxymethyl)quinoline
CID 60921717
(2-chloroquinolin-3-yl)methanamine
CID 71748539
2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
CID 103487973
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550
2-[(2-chloroquinolin-3-yl)methoxy]aniline
CID 61026521
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
2-chloro-3-(3-methylbutan-2-ylsulfanylmethyl)quinoline
CID 107747458
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane (CID 144823426) is tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc2ccccc2nc1Cl.
What is the InChIKey of tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane?
The InChIKey is FLQYPUMOGLDZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNOSi/c1-16(2,3)20(4,5)19-11-13-10-12-8-6-7-9-14(12)18-15(13)17/h6-10H,11H2,1-5H3.
What are the key properties of tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane?
tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane has a molecular weight of 307.90 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-chloroquinolin-3-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 144823426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).